SCHEMBL4417977

SCHEMBL4417977

CC(CN(C)C)NC(=O)Oc1nc2nc(Nc3ccc(F)cc3)ncc2cc1-c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
RPS6KA1 Q15418 1/20 0.39
CDK2 P24941 8/20 0.38
CDK4 P11802 7/20 0.38
CCNT1 O60563 3/20 0.37
CCNE1 P24864 3/20 0.37
CDK9 P50750 3/20 0.37
CCND1 P24385 1/20 0.35
CCND2 P30279 1/20 0.35
CCND3 P30281 1/20 0.35
MAPK10 P53779 2/20 0.34
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
PDGFRA P16234 1/20 0.33
MAPK14 Q16539 1/20 0.33
SYK P43405 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4411782 0.86 CDK2 (0.37) MAPK1CDK2CDK4CCNT1CCNE1
SCHEMBL4418433 0.86 CDK2 (0.47) MAPK1CDK2CCNT1CCNE1CDK9
SCHEMBL4416330 0.85 CDK2 (0.45) CDK2CDK4CCNT1CCNE1CDK9
SCHEMBL4410855 0.84 CCNT1 (0.42) CDK2CCNT1CCNE1CDK9ABL1
SCHEMBL4411789 0.83 CDK2 (0.40) CDK2CDK4CCNT1CCNE1CDK9
SCHEMBL4417149 0.83 FGFR1 (0.39) CDK2CDK4CCNT1CCNE1CDK9
SCHEMBL4412920 0.82 MAPK10 (0.36) CDK2CDK4CCNT1CCNE1CDK9
SCHEMBL4415084 0.82 MAPK10 (0.36) CDK2CDK4CCNT1CCNE1CDK9
SCHEMBL4413555 0.82 BRAF (0.38) CDK2CDK4CCNT1CCNE1CDK9
SCHEMBL4411774 0.82 MAPK10 (0.36) CDK2CDK4CCNT1CCNE1CDK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615921-B1 PYRIDO 2,3-D PYRIMIDIN-7-CARBOXYLIC ACID DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2009-03-18 EP claimed